Information card for entry 8106196

Structure parameters

• Formula: C28 H30 N4 O2 S2
• Calculated formula: C28 H30 N4 O2 S2
• Title of publication: Crystal structure of the bis((E)-O-ethyl-N-phenylthiocarbamate) – 4,4′-bipyridine co-crystal (2/1), C28H30N4O2S2
• Authors of publication: Yeo, Chien Ing; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 499 - 501
• a: 10.145 ± 0.0006 Å
• b: 11.6401 ± 0.0011 Å
• c: 11.8506 ± 0.001 Å
• α: 102.85 ± 0.008°
• β: 105.028 ± 0.006°
• γ: 94.135 ± 0.006°
• Cell volume: 1305.14 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No